Substrate
/
Generation 1
/
Generation 2
XenoSite
Diclofenac
O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 1
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O=C(O)CC1=C(Nc2c(Cl)cccc2Cl)C2OC2C=C1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 2
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O=C(O)C=C1C=CC2OC2C1=Nc1c(Cl)cccc1Cl
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dehydrogenation · 0.07
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
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